4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidine

C17H14N4O2 — CID 16657908

IUPAC4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidine
SMILESCOc1ccc(Cn2ncc3c(-c4ccco4)ncnc32)cc1
InChIInChI=1S/C17H14N4O2/c1-22-13-6-4-12(5-7-13)10-21-17-14(9-20-21)16(18-11-19-17)15-3-2-8-23-15/h2-9,11H,10H2,1H3
InChIKeySCNPUDCZXNUNQZ-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.14
Rot. Bonds4

About 4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidine

4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidine (PubChem CID 16657908) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidine
PubChem CID16657908
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidine
SMILESCOc1ccc(Cn2ncc3c(-c4ccco4)ncnc32)cc1
InChIInChI=1S/C17H14N4O2/c1-22-13-6-4-12(5-7-13)10-21-17-14(9-20-21)16(18-11-19-17)15-3-2-8-23-15/h2-9,11H,10H2,1H3
InChIKeySCNPUDCZXNUNQZ-UHFFFAOYSA-N
XLogP3.14
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidine (CID 16657908) is 4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidine is COc1ccc(Cn2ncc3c(-c4ccco4)ncnc32)cc1.
What is the InChIKey of 4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidine?
The InChIKey is SCNPUDCZXNUNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-22-13-6-4-12(5-7-13)10-21-17-14(9-20-21)16(18-11-19-17)15-3-2-8-23-15/h2-9,11H,10H2,1H3.
What are the key properties of 4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidine?
4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidine has a molecular weight of 306.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 16657908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).